1-[5-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-3-yl]propan-1-one

Systemtic Name: 1-[5-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-3-yl]propan-1-one Openeye Name: 1-[5-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-3-yl]propan-1-one CAS Name: 1-[5-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]-1-propanone IUPAC Name: 1-[5-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]propan-1-one Traditional Name: 1-[5-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-3-yl]propan-1-one Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CNC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl

Isomeric SMILES

CCC(=O)C1=CNC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl

InChI

InChI=1S/C21H28ClNO2/c1-8-16(24)13-11-23-19(22)17(13)12-9-14(20(2,3)4)18(25)15(10-12)21(5,6)7/h9-11,23,25H,8H2,1-7H3